[gmx-users] besides compiling it...

David spoel at xray.bmc.uu.se
Wed Mar 31 18:15:01 CEST 2004


On Wed, 2004-03-31 at 16:51, xiaobing tian wrote:
> Dear Dr. Warren,
>  
> Thank you for your explanation. By the way, besides compiling it, are
> there any other solutions to edit the SS tolerance?
>  

No.

But you can still edit your coordinate file such that the appropriate
sulphurs are within the limits. Use a text editor...

> Have a good day,
>  
> Xiaobing
> Dallas Warren <dallas.warren at vcp.monash.edu.au> wrote:
>         >Thank you for your kind reply. However, I didn't untar the
>         Gramcs file. I 
>         >just download the gromacs-3.2.1-i386.rpm to /root directory
>         and installed 
>         >it at same directory in my Linux Red Hat 8.0. In this case,
>         where is it 
>         >possibly?
>         
>         I am sure the developing guys will answer when it comes around
>         to their day 
>         time, but I suspect that it doesn't exist on that machine
>         since the .c file 
>         is a program/script file written in C and is compiled to
>         produce the 
>         appropriate GROMACS code. With an rpm the compiling etc has
>         already been 
>         done, so those .c files aren't needed.
>         
>         If you want to gain access to the scripts and adjust them to
>         your needs, I 
>         suspect you will need to use the compiling version, so you
>         have all the 
>         source scripts/code/libraries etc.
>         
>         Catch ya,
>         
>         Dr. Dallas Warren
>         Research Fellow
>         Department of Pharmaceutical Biology and Pharmacology
>         Victorian College of Pharmacy, Monash University
>         381 Royal Parade, Parkville VIC 3010
>         dallas.warren at vcp.monash.edu.au
>         +61 3 9903 9083
>         --------------------------------------------------------------------------
>         When the only tool you own is a hammer, every problem begins
>         to resemble a nail.
>         
>         _______________________________________________
>         gmx-users mailing list
>         gmx-users at gromacs.org
>         http://www.gromacs.org/mailman/listinfo/gmx-users
>         Please don't post (un)subscribe requests to the list. Use the 
>         www interface or send it to gmx-users-request at gromacs.org.
> 
> 
> Xiaobing Tian Ph.D.
> Department of Microbiology and Immunology
> Thomas Jefferson University
> 1025 Walnut St., Suite 420
> Philadelphia, PA19107
> Phone: 215-955-1364 (Lab)
> 
> 
> ______________________________________________________________________
> Do you Yahoo!?
> Yahoo! Finance Tax Center - File online. File on time.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++




More information about the gromacs.org_gmx-users mailing list